2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid

C23H18N2O3 — CID 67938727

IUPAC2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid
SMILESCc1cc(OCc2ccccc2-c2ccccc2C(=O)O)c2ncccc2n1
InChIInChI=1S/C23H18N2O3/c1-15-13-21(22-20(25-15)11-6-12-24-22)28-14-16-7-2-3-8-17(16)18-9-4-5-10-19(18)23(26)27/h2-13H,14H2,1H3,(H,26,27)
InChIKeyGQRBWIIVJLMHNC-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.88
Rot. Bonds5

About 2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid

2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid (PubChem CID 67938727) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid
PubChem CID67938727
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid
SMILESCc1cc(OCc2ccccc2-c2ccccc2C(=O)O)c2ncccc2n1
InChIInChI=1S/C23H18N2O3/c1-15-13-21(22-20(25-15)11-6-12-24-22)28-14-16-7-2-3-8-17(16)18-9-4-5-10-19(18)23(26)27/h2-13H,14H2,1H3,(H,26,27)
InChIKeyGQRBWIIVJLMHNC-UHFFFAOYSA-N
XLogP4.88
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid (CID 67938727) is 2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid is Cc1cc(OCc2ccccc2-c2ccccc2C(=O)O)c2ncccc2n1.
What is the InChIKey of 2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid?
The InChIKey is GQRBWIIVJLMHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-15-13-21(22-20(25-15)11-6-12-24-22)28-14-16-7-2-3-8-17(16)18-9-4-5-10-19(18)23(26)27/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid?
2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-1,5-naphthyridin-4-yl)oxymethyl]phenyl]benzoic acid is sourced from PubChem (CID 67938727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).